N-cyclopropyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide

C13H15N3OS — CID 2389481

IUPACN-cyclopropyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
SMILESCc1ccc2nc(SCC(=O)NC3CC3)[nH]c2c1
InChIInChI=1S/C13H15N3OS/c1-8-2-5-10-11(6-8)16-13(15-10)18-7-12(17)14-9-3-4-9/h2,5-6,9H,3-4,7H2,1H3,(H,14,17)(H,15,16)
InChIKeyOMFKSOMTTDCEHA-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.24
Rot. Bonds4

About N-cyclopropyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide

N-cyclopropyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide (PubChem CID 2389481) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is N-cyclopropyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
PubChem CID2389481
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC NameN-cyclopropyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
SMILESCc1ccc2nc(SCC(=O)NC3CC3)[nH]c2c1
InChIInChI=1S/C13H15N3OS/c1-8-2-5-10-11(6-8)16-13(15-10)18-7-12(17)14-9-3-4-9/h2,5-6,9H,3-4,7H2,1H3,(H,14,17)(H,15,16)
InChIKeyOMFKSOMTTDCEHA-UHFFFAOYSA-N
XLogP2.24
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-cyclopropyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide (CID 2389481) is N-cyclopropyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide is Cc1ccc2nc(SCC(=O)NC3CC3)[nH]c2c1.
What is the InChIKey of N-cyclopropyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide?
The InChIKey is OMFKSOMTTDCEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-8-2-5-10-11(6-8)16-13(15-10)18-7-12(17)14-9-3-4-9/h2,5-6,9H,3-4,7H2,1H3,(H,14,17)(H,15,16).
What are the key properties of N-cyclopropyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide?
N-cyclopropyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide has a molecular weight of 261.35 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 2389481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).